| CAS Number | 1803084-79-8 |
| Catalog Number | AG01FPKT(AGN-PC-3H5P0N) |
| Chemical Name | Benzoic acid, 2-ethoxy-4-[2-oxo-2-[[(1S)-2-phenyl-1-[2-(1-piperidinyl)phenyl]ethyl]amino]ethyl]- |
| IUPAC Name | 2-ethoxy-4-[2-oxo-2-[[(1S)-2-phenyl-1-(2-piperidin-1-ylphenyl)ethyl]amino]ethyl]benzoic acid |
| InChI | InChI=1S/C30H34N2O4/c1-2-36-28-20-23(15-16-25(28)30(34)35)21-29(33)31-26(19-22-11-5-3-6-12-22)24-13-7-8-14-27(24)32-17-9-4-10-18-32/h3,5-8,11-16,20,26H,2,4,9-10,17-19,21H2,1H3,(H,31,33)(H,34,35)/t26-/m0/s1 |
| InChI Key | MHMMEOVDUOZDJA-SANMLTNESA-N |
| MDL Number | MFCD32706636 |
| Molecular Formula | C30H34N2O4 |
| Molecular Weight | 486.6020 |
| SMILES | C(C)OC1=C(C(=O)O)C=CC(=C1)CC(N[C@@H](CC1=CC=CC=C1)C1=C(C=CC=C1)N1CCCCC1)=O |
| UNII | QVW9L5V2LY |
| Synonyms | UNII-QVW9L5V2LY,
2-Desisopropyl-2-phenyl repaglinide,
QVW9L5V2LY,
Repaglinide related compound C,
Repaglinide related compound C [USP],
Repaglinide related compound C RS [USP],
ZINC27626180,
(S)-2-Ethoxy-4-(2-((2-phenyl-1-(2-(1-piperidinyl)phenyl)ethyl)amino)-2-oxoethyl)benzoic acid,
AS-74622,
Q27287522,
1803084-79-8,
2-ethoxy-4-({[(1S)-2-phenyl-1-[2-(piperidin-1-yl)phenyl]ethyl]carbamoyl}methyl)benzoic acid,
107362-12-9,
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| Complexity | 688 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 486.251858g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 486.6g/mol |
| Monoisotopic Mass | 486.251858g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 78.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number